scholarly journals Distribution and Transport of CO2 in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach

ACS Omega ◽  
2021 ◽  
Vol 6 (4) ◽  
pp. 3390-3398
Author(s):  
Kyung Il Kim ◽  
Robin Lawler ◽  
Hyun June Moon ◽  
Pavithra Narayanan ◽  
Miles A. Sakwa-Novak ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Hyperbranched Poly

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

2017 ◽  
Vol 13 (1) ◽  
pp. 30-38
Author(s):  
Sajjad Ahrari ◽  
Fatemeh Dabbagh ◽  
Sobhan Ahrari ◽  
Younes Ghasemi ◽  
Navid Mogharrab ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rational Design ◽  
Dynamics Simulation ◽  
Urate Oxidase ◽  
Simulation Approach ◽  
Mutant Variant

Understanding the biological role of PqqB in Pseudomonas stutzeri using molecular dynamics simulation approach

2020 ◽  
pp. 1-13
Author(s):  
Prassan Choudhary ◽  
Arpan Bhowmik ◽  
Hillol Chakdar ◽  
Mohammad Aqueel Khan ◽  
Chandrabose Selvaraj ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Pseudomonas Stutzeri ◽  
Biological Role ◽  
Dynamics Simulation ◽  
Simulation Approach

scholarly journals Pt3MeAu (Me = Ni, Cu) Fuel Cell Nanocatalyst Growth, Shapes, and Efficiency: A Molecular Dynamics Simulation Approach

2019 ◽  
Vol 123 (49) ◽  
pp. 29656-29664 ◽  
Author(s):  
Pascal Brault ◽  
Christophe Coutanceau ◽  
Amaël Caillard ◽  
Stève Baranton
Keyword(s):  
Molecular Dynamics ◽  
Fuel Cell ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach

scholarly journals In silico assessment of human Calprotectin subunits (S100A8/A9) in presence of sodium and calcium ions using Molecular Dynamics simulation approach

PLoS ONE ◽  
2019 ◽  
Vol 14 (10) ◽  
pp. e0224095 ◽  
Author(s):  
Nematollah Gheibi ◽  
Mohammad Ghorbani ◽  
Hanifeh Shariatifar ◽  
Alireza Farasat
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Calcium Ions ◽  
In Silico ◽  
Dynamics Simulation ◽  
Simulation Approach

Interaction of bombolitin II with a membrane-mimetic environment: an NMR and molecular dynamics simulation approach

2002 ◽  
Vol 101-102 ◽  
pp. 577-591 ◽  
Author(s):  
Luca Monticelli ◽  
Davide Pedini ◽  
Elisabetta Schievano ◽  
Stefano Mammi ◽  
Evaristo Peggion
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Membrane Mimetic
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